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3040-24-2 | Propanedioic acid, 2-(3-ethoxy-2-propen-1-ylidene)-, 1,3-diethyl ester
CAS No: 3040-24-2 Catalog No: AG00300Y MDL No:
Product Description
Catalog Number:
AG00300Y
Chemical Name:
Propanedioic acid, 2-(3-ethoxy-2-propen-1-ylidene)-, 1,3-diethyl ester
CAS Number:
3040-24-2
Molecular Formula:
C12H18O5
Molecular Weight:
242.2683
IUPAC Name:
diethyl 2-(3-ethoxyprop-2-enylidene)propanedioate
InChI:
InChI=1S/C12H18O5/c1-4-15-9-7-8-10(11(13)16-5-2)12(14)17-6-3/h7-9H,4-6H2,1-3H3
InChI Key:
HGFFSRDAOVLOSG-UHFFFAOYSA-N
SMILES:
CCOC=CC=C(C(=O)OCC)C(=O)OCC
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.115g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.271g/mol
Monoisotopic Mass:
242.115g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.1
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